SCHEMBL787543

SCHEMBL787543

Fc1ccc(Oc2ccc(F)c(I)c2)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.41
NR4A1 P22736 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
NLRP1 Q9C000 1/20 0.33
NOD2 Q9HC29 1/20 0.33
MAP4K4 O95819 1/20 0.33
HTR2A P28223 2/20 0.33
SLC6A4 P31645 1/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29509707 0.81 CA12 (0.43) SMN1; SMN2MEN1ALDH1A1KMT2AMAPT
SCHEMBL15718550 0.81 CA12 (0.43) SMN1; SMN2MEN1ALDH1A1KMT2AMAPT
SCHEMBL5024677 0.78 GPR3 (0.46) SMN1; SMN2GAAMAPTLMNACYP1A2
SCHEMBL7711840 0.76 KIF11 (0.39)
SCHEMBL19309934 0.76 NQO1 (0.50) SMN1; SMN2MEN1ALDH1A1KMT2AMAPT
SCHEMBL24948362 0.76 NR4A1 (0.42) NR4A1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL28051970 0.74
SCHEMBL19309964 0.73 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1GAASLC6A4PDE3A
SCHEMBL26586970 0.72 FFAR1 (0.34) THRATHRBPPARG
SCHEMBL22199221 0.72 HTR2A (0.44) SOS1SMN1; SMN2MEN1ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
EP-2616441-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2013-07-24 EP disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 SOS1 1465/4885NR4A1 879/4885SMN1; SMN2 522/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SOS1 1465/4885NR4A1 879/4885SMN1; SMN2 522/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.